4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-7,8-dimethyl-2-quinolyl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-7,8-dimethyl-2-quinolinyl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-7,8-dimethylquinolin-2-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-7,8-dimethyl-2-quinolyl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC(=C4)C#N)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC(=C4)C#N)C#N)C

InChI

InChI=1S/C25H24N6O/c1-17-7-8-20-14-21(16-27)24(29-23(20)18(17)2)30-9-4-10-31(12-11-30)25(32)28-22-6-3-5-19(13-22)15-26/h3,5-8,13-14H,4,9-12H2,1-2H3,(H,28,32)